Experimental, DFT and MC simulation analysis of Vicia Sativa weed aerial extract as sustainable and eco-benign corrosion inhibitor for mild steel in acidic environment

Adekunle, 2021, Investigation on corrosion inhibition of mild steel by extract of dracaena arborea leaves in acidic medium, Chem. Africa, 4, 647, 10.1007/s42250-021-00246-8 Ahanotu, 2020, Pterocarpus santalinoides leaves extract as a sustainable and potent inhibitor for low carbon steel in a simulated pickling medium, Sustain. Chem. Pharm., 15 Akalezi, 2016, Corrosion inhibition properties of Gongronema latifollium extract in acidic media, Int. J. Corros. Scale Inhib., 5, 232, 10.17675/2305-6894-2016-5-3-4 Al-Moghrabi, 2018, A comparative study on the inhibitive effect of Crataegus oxyacantha and Prunus avium plant leaf extracts on the corrosion of mild steel in hydrochloric acid solution, Int. J. Ind. Chem., 9, 255, 10.1007/s40090-018-0154-3 Alvarez, 2018, Rollinia occidentalis extract as green corrosion inhibitor for carbon steel in HCl solution, J. Ind. Eng. Chem., 58, 92, 10.1016/j.jiec.2017.09.012 Aourabi, 2021, Phenolic fraction of Ammi visnaga extract as environmentally friendly antioxidant and corrosion inhibitor for mild steel in acidic medium, J. Mol. Liq., 323, 10.1016/j.molliq.2020.114950 2021, Standard Practice for Laboratory Immersion Corrosion Testing of Metals, 3, 101 Bashir, 2019, Computational and experimental studies on Phenylephrine as anti-corrosion substance of mild steel in acidic medium, J. Mol. Liq., 293, 10.1016/j.molliq.2019.111539 Bashir, 2020, Corrosion inhibition performance of acarbose on mild steel corrosion in acidic medium: an experimental and computational study, Arabian J. Sci. Eng., 45, 4773, 10.1007/s13369-020-04514-6 Bashir, 2020, Corrosion inhibition efficiency of bronopol on aluminium in 0.5 M HCl solution: insights from experimental and quantum chemical studies, Surface. Interfac., 20 Bashir, Sharma, 2021, Gymneme sylvestre as a green corrosion inhibitor for aluminum in an acidic medium, Port. Electrochim. Acta, 39, 199, 10.4152/pea.2021390304 Belghiti, 2016, Anti-corrosive properties of 4-amino-3,5-bis(disubstituted)-1,2,4-triazole derivatives on mild steel corrosion in 2 M H3PO4 solution: experimental and theoretical studies, J. Mol. Liq., 216, 874, 10.1016/j.molliq.2015.12.093 Belghiti, 2016, New hydrazine derivatives as corrosion for mild steel in phosphoric acid medium. Part B: theoretical investigation, J. Mater. Environ. Sci., 7, 956 Belghiti, 2016, New hydrazine derivatives as corrosion inhibitors for mild steel protection in phosphoric acid medium. Part A: experimental study, J. Mater. Environ. Sci., 7, 337 Belghiti, 2019, Computational simulation and statistical analysis on the relationship between corrosion inhibition efficiency and molecular structure of some hydrazine derivatives in phosphoric acid on mild steel surface, Appl. Surf. Sci., 491, 707, 10.1016/j.apsusc.2019.04.125 Belghiti, 2020, Understanding the adsorption of newly Benzylidene-aniline derivatives as a corrosion inhibitor for carbon steel in hydrochloric acid solution: experimental, DFT and molecular dynamic simulation studies, Arab. J. Chem., 13, 1499, 10.1016/j.arabjc.2017.12.003 Benhiba, 2021, Corrosion inhibition performance of 4-(prop-2-ynyl)- [1,4]-benzothiazin-3-one against mild steel in 1 M HCl solution: experimental and theoretical studies, Int. J. Hydrogen Energy, 46, 25800, 10.1016/j.ijhydene.2021.05.091 Benzbiria, 2020, Synthetized benzodiazepine as efficient corrosion inhibitor for copper in 3.5% NaCl solution, Mater. Today Proc., 37, 3932, 10.1016/j.matpr.2020.09.030 Boudalia, 2019, Green approach to corrosion inhibition of stainless steel in phosphoric acid of Artemesia herba albamedium using plant extract, J. Mater. Res. Technol., 8, 5763, 10.1016/j.jmrt.2019.09.045 Bourazmi, 2018, Methanolic Extract of Salvia Officinalis plant as a green inhibitor for the corrosion of carbon steel in 1 M HCl, J. Mater. Environ. Sci., 9, 928 Carranza, 2021, Electrochemical and quantum mechanical investigation of various small molecule organic compounds as corrosion inhibitors in mild steel, Heliyon, 7, 10.1016/j.heliyon.2021.e07952 Echihi, 2020, Corrosion inhibition of copper by pyrazole pyrimidine derivative in synthetic seawater: experimental and theoretical studies, Mater. Today Proc., 37, 3958, 10.1016/j.matpr.2020.09.264 El Hajjaji, 2021, Pyridinium-based ionic liquids as novel eco-friendly corrosion inhibitors for mild steel in molar hydrochloric acid: experimental & computational approach, Surface. Interfac., 22 El-Hajjaji, 2018, Adsorption and corrosion inhibition effect of 2-mercaptobenzimidazole (surfactant) on a carbon steel surface in an acidic medium: experimental and Monte Carlo simulations, Port. Electrochim. Acta, 36, 197, 10.4152/pea.201803197 El-Hajjaji, 2018, Pyridazinium-based ionic liquids as novel and green corrosion inhibitors of carbon steel in acid medium: electrochemical and molecular dynamics simulation studies, J. Mol. Liq., 249, 997, 10.1016/j.molliq.2017.11.111 El-Hajjaji, 2019, 1-octyl-2-(Octylthio)-1H-benzimidazole as a new and effective corrosion inhibitor for carbon steel in 1 M HCl, Port. Electrochim. Acta, 37, 131, 10.4152/pea.201903131 Elmsellem, 2014, Anti-corrosive properties and quantum chemical study of (E)-4-methoxy-N-(methoxybenzylidene)aniline and (E)-N-(4-methoxybenzylidene)-4-nitroaniline coating on mild steel in molar hydrochloric, Int. J. Electrochem. Sci., 9, 5328, 10.1016/S1452-3981(23)08170-1 Elmsellem, 2015, Adsorption properties and inhibition of mild steel corrosion in 1 M HCl solution by some bipyrazolic derivatives: experimental and theoretical investigations, Protect. Met. Phys. Chem. Surface, 51, 873, 10.1134/S207020511505007X Fekkar, 2020, Eco-friendly chamaerops humilis l. Fruit extract corrosion inhibitor for mild steel in 1 M HCL, Int. J. Corros. Scale Inhib., 9, 446 Fouda, 2021, Effectiveness of some novel heterocyclic compounds as corrosion inhibitors for carbon steel in 1 M HCl using practical and theoretical methods, RSC Adv., 11, 10.1039/D1RA03083C Fouda, 2021, Corrosion inhibition of aluminium by rice straw extract in 2 M hydrochloric acid solution, J. Bio- Tribo-Corros., 7, 1 Gazquez, 2007, Electrodonating and electroaccepting related papers, J. Phys. Chem. A, 111, 1966, 10.1021/jp065459f Haddadi, 2019, A detailed atomic level computational and electrochemical exploration of the Juglans regia green fruit shell extract as a sustainable and highly efficient green corrosion inhibitor for mild steel in 3.5 wt% NaCl solution, J. Mol. Liq., 284, 682, 10.1016/j.molliq.2019.04.045 Haldhar, 2021, Evaluation of Gloriosa superba seeds extract as corrosion inhibition for low carbon steel in sulfuric acidic medium: a combined experimental and computational studies, J. Mol. Liq., 323, 10.1016/j.molliq.2020.114958 Hanini, 2019, Influence of different polyphenol extracts of Taxus baccata on the corrosion process and their effect as additives in electrodeposition, Sustain. Chem. Pharm., 14 Haque, 2021, Corrosion inhibition of mild steel in 1M HCl using environmentally benign Thevetia peruviana flower extracts, Sustain. Chem. Pharm., 19 Ikpeseni, 2021, Corrosion inhibition efficiency, adsorption and thermodynamic studies of ocimum gratissimum on carbon steel in 2 M sodium chloride solution, J. Bio- Tribo-Corros., 7, 1, 10.1007/s40735-021-00505-8 Ishak, 2019, Corrosion inhibition of mild steel in 1M hydrochloric acid using haematostaphis barteri leaves extract, Procedia Manuf., 35, 1279, 10.1016/j.promfg.2019.06.088 Ituen, 2017, Elephant grass biomass extract as corrosion inhibitor for mild steel in acidic medium, J. Mater. Environ. Sci., 8, 1498 Jafari, 2019, Corrosion inhibition of carbon steel immersed in a 1 M HCl solution using benzothiazole derivatives, Arab. J. Chem., 12, 1387, 10.1016/j.arabjc.2014.11.018 Kaya, 2015, A new method for calculation of molecular hardness: a theoretical study, Comput. Theor. Chem., 1060, 66, 10.1016/j.comptc.2015.03.004 Kaya, 2015, A simple method for the calculation of lattice energies of inorganic ionic crystals based on the chemical hardness, Inorg. Chem., 54, 8207, 10.1021/acs.inorgchem.5b00383 Kendig, 2003, Corrosion inhibition of aluminum and aluminum alloys by soluble chromates, chromate coatings, and chromate-free coatings, Corrosion, 59, 379, 10.5006/1.3277570 Khadom, 2015, Evaluation of environmentally friendly inhibitor for galvanic corrosion of steel-copper couple in petroleum waste water, Process Saf. Environ. Protect., 98, 93, 10.1016/j.psep.2015.06.011 Khaled, 2021, pyrimidine-bichalcophene derivatives as corrosion inhibitors for copper in 1 M nitric acid solution, RSC Adv., 11, 25314, 10.1039/D1RA03603C Khan, 2019, Evaluation of Matricaria aurea extracts as effective anti-corrosive agent for mild steel in 1.0 M HCl and isolation of their active ingredients, Sustain., 11, 1 Khiya, 2019, Valorization of the Salvia officinalis L. of the Morocco bioactive extracts: phytochemistry, antioxidant activity and corrosion inhibition, J. King Saud Univ. Sci., 31, 322, 10.1016/j.jksus.2018.11.008 Kumar, 2020 Kumar, 2020, Imidazole derivatives as corrosion inhibitors for copper: a DFT and reactive force field study, Corrosion Sci., 171, 10.1016/j.corsci.2020.108724 Kumar, 2021, Adsorption and inhibition mechanism of efficient and environment friendly corrosion inhibitor for mild steel: experimental and theoretical study, J. Mol. Liq., 338, 10.1016/j.molliq.2021.116634 Lebrini, 2020, Bagassa guianensis ethanol extract used as sustainable eco-friendly inhibitor for zinc corrosion in 3% NaCl: electrochemical and XPS studies, Surface. Interfac., 20, 1 Lebrini, 2020, Bagassa guianensis ethanol extract used as sustainable eco-friendly inhibitor for zinc corrosion in 3% NaCl: electrochemical and XPS studies, Surface. Interfac., 20 Lv, 2019, How did the corrosion inhibitor work in amino-functionalized ionic liquids for CO2 capture: quantum chemical calculation and experimental, Int. J. Greenh. Gas Control, 91, 10.1016/j.ijggc.2019.102846 Manssouri, 2021, Experimental and computational studies of perillaldehyde isolated from Ammodaucus leucotrichus essential oil as a green corrosion inhibitor for mild steel in 1.0 M HCl, Chem. Pap., 75, 1103, 10.1007/s11696-020-01353-5 Mirzakhanzadeh, 2018, Enhanced corrosion protection of mild steel by the synergetic effect of zinc aluminum polyphosphate and 2-mercaptobenzimidazole inhibitors incorporated in epoxy-polyamide coatings, Corrosion Sci., 138, 372, 10.1016/j.corsci.2018.04.040 Mushira Banu, 2021, Evaluation of inhibitive performance of Allamanda cathartica leaves extract as a green corrosion inhibitor on mild steel in acid medium, Mater. Today Proc., 47, 2036, 10.1016/j.matpr.2021.04.372 Odunlami, 2021, Data on the corrosion Inhibition Property of Rosemary on High Carbon Steel in dilute sulphuric acid , citric acid and sodium chloride solution, Chem. Data Collect., 32, 10.1016/j.cdc.2021.100660 Odusote, 2021, Inhibition efficiency of gold nanoparticles on corrosion of mild steel, stainless steel and aluminium in 1M HCl solution, Mater. Today Proc., 38, 578, 10.1016/j.matpr.2020.02.984 Ogunleye, 2020, Green corrosion inhibition and adsorption characteristics of Luffa cylindrica leaf extract on mild steel in hydrochloric acid environment, Heliyon, 6, 10.1016/j.heliyon.2020.e03205 Olivares-Xometl, 2020, Theoretical and experimental study of the anion carboxylate in quaternary-ammonium-derived ionic liquids for inhibiting the corrosion of API X60 steel in 1 M H2SO4, J. Mol. Liq., 318, 10.1016/j.molliq.2020.114075 Oruene, 2021, The inhibition effect of breadfruit leaf extract on mild steel corrosion, J. Newviews Eng. Technol., 3, 34 Oshomogho, 2020, Green corrosion inhibition of mild steel using Prunus Dulcis seeds extract in an acidic medium, Global J. Pure Appl. Sci., 26, 171, 10.4314/gjpas.v26i2.9 Ouakki, 2020, Electrochemical, thermodynamic and theoretical studies of some imidazole derivatives compounds as acid corrosion inhibitors for mild steel, J. Mol. Liq., 319, 10.1016/j.molliq.2020.114063 Oyedeko, 2022, Study of blend of extracts from bitter leaf (Vernonia Amygdalina) leaves and banana (Musa Acuminata) stem as corrosion inhibitor of mild steel in acidic medium, Eur. J. Eng. Technol. Res., 7, 48, 10.24018/ejeng.2022.7.1.2708 Oyewole, 2021, Corchorus olitorius stem as corrosion inhibitor on mild steel in sulphuric acid, Heliyon, 7, 10.1016/j.heliyon.2021.e06840 Palanisamy, 2018, Ricinus communis – A green extract for the improvement of anti-corrosion and mechanical properties of reinforcing steel in concrete in chloride media, J. Build. Eng., 19, 376, 10.1016/j.jobe.2018.05.020 Parveen, 2020, Experimental and computational studies of imidazolium based ionic liquid 1-methyl- 3-propylimidazolium iodide on mild steel corrosion in acidic solution Experimental and computational studies of imidazolium based ionic liquid 1-methyl- 3-propylimidazolium, Mater. Res. Express, 7, 10.1088/2053-1591/ab5c6a Quadri, 2021, Chromeno-carbonitriles as corrosion inhibitors for mild steel in acidic solution: electrochemical, surface and computational studies, RSC Adv., 11, 2462, 10.1039/D0RA07595G Rajasingh, 2021, Hydrothermal synthesis and enhanced corrosion inhibition activity of CdS QDs toward Zn surface, J. Environ. Nanotechnol., 10, 6, 10.13074/jent.2021.06.212436 Romeo, 2009, Headspace volatiles of vicia sativa l. (Leguminoseae) by solid-phase microextraction and gas chromatography/mass spectrometry, J. Essent. Oil Res., 21, 33, 10.1080/10412905.2009.9700101 Salehi, 2021, Vicia plants—a comprehensive review on chemical composition and phytopharmacology, Phyther. Res., 35, 790, 10.1002/ptr.6863 Salmasifar, 2021, Combined electrochemical/surface investigations and computer modeling of the aquatic Artichoke extract molecules corrosion inhibition properties on the mild steel surface immersed in the acidic medium, J. Mol. Liq., 327, 10.1016/j.molliq.2020.114856 Santos, 2021, Evaluation of palm kernel cake powder (Elaeis guineensis Jacq.) as corrosion inhibitor for carbon steel in acidic media, Met. Mater. Int., 27, 1519, 10.1007/s12540-019-00559-x Shahini, 2021, Superior inhibition action of the Mish Gush (MG) leaves extract toward mild steel corrosion in HCl solution: theoretical and electrochemical studies, J. Mol. Liq., 332, 10.1016/j.molliq.2021.115876 Shahmoradi, 2021, Theoretical and surface/electrochemical investigations of walnut fruit green husk extract as effective inhibitor for mild-steel corrosion in 1M HCl electrolyte, J. Mol. Liq., 338, 10.1016/j.molliq.2021.116550 Singh, 2020, Anti-corrosion investigation of pyrimidine derivatives as green and sustainable corrosion inhibitor for N80 steel in highly corrosive environment: experimental and AFM/XPS study, Sustain. Chem. Pharm., 16 States, 2014, Environmentally acceptable lubricants, Encycl. Lubr. Lubr. Sudha, 2021, Enhancement of corrosive-resistant behavior of Zn and Mg metal plates using biosynthesized nickel oxide nanoparticles, J. Bio- Tribo-Corros., 7, 1, 10.1007/s40735-021-00492-w Tan, 2021, Insight into anti-corrosion nature of Betel leaves water extracts as the novel and eco-friendly inhibitors, J. Colloid Interface Sci., 585, 287, 10.1016/j.jcis.2020.11.059 Thakur, 2019, Nanotechnology and its significance in food industries : an Overview, J. Emerg. Technol. Innov. Res., 6, 344 Thakur, 2019, Potential of weeds extract as A green corrosion inhibitor on mild steel: a review, Think India J., 22, 3226 Thakur, 2019, Potential of natural product extract as green corrosion inhibitors for steel- A review, J. Gujarat Res. Soc., 21, 200 Thakur, 2020, A review on ammonia derivatives as corrosion inhibitors for metals and alloys, Eur. J. Mol. Clin. Med., 7, 49 Thakur, 2021, Sustainable inhibitors for corrosion mitigation in aggressive corrosive media: a comprehensive study, J. Bio- Tribo-Corros., 7, 1, 10.1007/s40735-021-00501-y Thakur, 2022, Computational and experimental studies on the corrosion inhibition performance of an aerial extract of Cnicus Benedictus weed on the acidic corrosion of mild steel, Process Saf. Environ. Protect., 161, 801, 10.1016/j.psep.2022.03.082 Thakur, 2022, Suppressing inhibitory compounds by nanomaterials for highly efficient biofuel production: a review, Fuel, 312, 10.1016/j.fuel.2021.122934 Umoren, 2021, Date palm leaves extract as a green and sustainable corrosion inhibitor for low carbon steel in 15 wt.% HCl solution: the role of extraction solvent on inhibition effect, Environ. Sci. Pollut. Res., 28, 40879, 10.1007/s11356-021-13567-5 Vasanthajothi, 2021, Mild steel green inhibition by Hardwickia binata Roxb. leaves extract in acid medium, J. Adhes. Sci. Technol., 35, 296, 10.1080/01694243.2020.1801248 Verma, 2018, Inhibition performance of Glycine max, Cuscuta reflexa and Spirogyra extracts for mild steel dissolution in acidic medium: density functional theory and experimental studies, Results Phys., 10, 665, 10.1016/j.rinp.2018.06.003 Wang, 2021, Recognition of weeds at asparagus fields using multi-feature fusion and backpropagation neural network, Int. J. Agric. Biol. Eng., 14, 190 Yüce, 2020, Corrosion inhibition behavior of robinia pseudoacacia leaves extract as a eco-friendly inhibitor on mild steel in acidic media, Met. Mater. Int., 26, 456, 10.1007/s12540-019-00509-7 Zadeh, 2021, Myrtus communis extract: a bio-controller for microbial corrosion induced by sulphate reducing bacteria, Corrosion Eng. Sci. Technol., 56, 269, 10.1080/1478422X.2020.1850401 Zuo, 2021, Research of Lilium brownii leaves extract as a commendable and green inhibitor for X70 steel corrosion in hydrochloric acid, J. Mol. Liq., 321, 10.1016/j.molliq.2020.114914